SCHEMBL7609671

SCHEMBL7609671

Cn1nc(-c2ccccc2)cc1N/C=C1/C(=O)Nc2ncc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
CDK2 P24941 3/20 0.41
CCNA2 P20248 2/20 0.41
RAF1 P04049 1/20 0.41
CCNA1 P78396 1/20 0.41
FLT3 P36888 2/20 0.40
MAPT P10636 7/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.37
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
JAK3 P52333 2/20 0.34
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7609675 1.00 NTRK1 (0.46) NTRK1CDK2CCNA2RAF1CCNA1
SCHEMBL7606291 0.90 JAK3 (0.41) NTRK1FLT3MAPTPOLBRAB9A
SCHEMBL7606283 0.90 JAK3 (0.41) NTRK1FLT3MAPTPOLBRAB9A
SCHEMBL7723563 0.85 RAF1 (0.43) NTRK1RAF1FLT3MAPTPOLB
SCHEMBL7612207 0.83 MAPT (0.35) NTRK1MAPTPOLBRAB9AXBP1
SCHEMBL7616064 0.83 CDK8 (0.37) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL7616071 0.83 CDK8 (0.37) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL7612214 0.83 MAPT (0.35) NTRK1MAPTPOLBRAB9AXBP1
SCHEMBL7613347 0.81 SMN1; SMN2 (0.40) NTRK1CDK2CCNA2MAPTPOLB
SCHEMBL7613340 0.81 SMN1; SMN2 (0.40) NTRK1CDK2CCNA2MAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX NTRK1 1095/4885CDK2 108/4885CCNA2 350/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.